SCHEMBL2875247

SCHEMBL2875247

CC(C)(C)OC(=O)Nc1ccccc1CNC(=O)C1(C(=O)O)C=CNC(c2ccccn2)=C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.34
HDAC1 Q13547 1/20 0.34
SLC29A1 Q99808 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
SCN9A Q15858 6/20 0.33
SCN10A Q9Y5Y9 4/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CNR2 P34972 1/20 0.32
CYP3A4 P08684 3/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
ANO1 Q5XXA6 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2871839 0.86 BCHE (0.40) ACACBACACA
SCHEMBL2872141 0.84 ATM (0.38) ACACBACACACYP3A4
SCHEMBL2878070 0.80 HPGDS (0.46) CYP3A4
SCHEMBL93597 0.74 KDM4E (0.42) METAP1LMNAPOLB
SCHEMBL2876748 0.72 ASAH1 (0.41)
SCHEMBL8235396 0.70 KCNA5 (0.50) METAP1HDAC1BRD9RXFP1LMNA
SCHEMBL16523133 0.68 LMNA (0.48) METAP1HDAC1SLC29A1BRD9RXFP1
Thiocyanic Acid SCHEMBL1615957 0.68 KDM4E (0.37) METAP1LMNAPOLB
SCHEMBL2872343 0.68 KDM5B (0.53) METAP1HDAC1ACACBACACALMNA
SCHEMBL14907972 0.67 KCNA5 (0.53) ACACBACACASCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010043866-A2 HISTONE LYSINE DEMETHYLASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2010-04-22 WO disclosed